SCHEMBL785665

SCHEMBL785665

CC(C)CC(=O)NC1CCCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK3 Q9H2K8 3/20 0.41
TAOK1 Q7L7X3 2/20 0.41
CTSS P25774 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PSMB11 A5LHX3 1/20 0.39
PSMA7 O14818 1/20 0.39
PSMB1 P20618 1/20 0.39
PSMA1 P25786 1/20 0.39
PSMA2 P25787 1/20 0.39
PSMA3 P25788 1/20 0.39
PSMA4 P25789 1/20 0.39
PSMB8 P28062 1/20 0.39
PSMB9 P28065 1/20 0.39
PSMA5 P28066 1/20 0.39
PSMB4 P28070 1/20 0.39
PSMB6 P28072 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB10 P40306 1/20 0.39
PSMB3 P49720 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL785736 0.95 CCR5 (0.39) TAOK3TAOK1CTSSMAPTSMN1; SMN2
SCHEMBL784956 0.95 CCR5 (0.39) TAOK3TAOK1CTSSMAPTSMN1; SMN2
SCHEMBL785579 0.89 TAOK3 (0.41) TAOK3TAOK1CTSSMAPTSMN1; SMN2
SCHEMBL785080 0.89 TAOK3 (0.41) TAOK3TAOK1CTSSMAPTSMN1; SMN2
SCHEMBL785013 0.88 ROCK2 (0.39) TAOK3TAOK1MAPTSMN1; SMN2PSMB11
SCHEMBL785305 0.88 ROCK2 (0.39) TAOK3TAOK1MAPTSMN1; SMN2PSMB11
SCHEMBL785734 0.88 CTSS (0.44) TAOK3TAOK1CTSSMAPTSMN1; SMN2
SCHEMBL785778 0.87 TAOK3 (0.40) TAOK3TAOK1CTSSMAPTPSMB11
SCHEMBL784957 0.86 CTSS (0.43) TAOK3TAOK1CTSSMAPTSMN1; SMN2
SCHEMBL784804 0.85 F10 (0.41) CTSSF10DRD2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 TAOK3 2233/4885TAOK1 2714/4885CTSS 824/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.